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CAS 72928-02-0 4-propylphenyl trans-4-(4-propylcyclohexyl)benzoate molecular structure lightbox
CAS RN: 72928-02-0

4-propylphenyl trans-4-(4-propylcyclohexyl)benzoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250310 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: LINP888228
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72928-02-0 / (4-propylphenyl) 4-(4-propylcyclohexyl)benzoate

Standard CAS: 72928-02-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72928-02-0
Multi CAS
Yes
Molecular Formula
C25H32O2
Molecular Weight
364.500000
Exact Mass
364.240230
InChI
InChI=1S/C25H32O2/c1-3-5-19-7-11-21(12-8-19)22-13-15-23(16-14-22)25(26)27-24-17-9-20(6-4-2)10-18-24/h9-10,13-19,21H,3-8,11-12H2,1-2H3
InChIKey
TVAPGSSMRUFIFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
111.44
TPSA
26.3

LogP / Solubility

WLOGP
6.93
MLOGP
6.12
XLogP3
8.5
Consensus LogP
7.18
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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